SCHEMBL9216833

SCHEMBL9216833

N#CNC(=NCCc1ccccc1)c1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NAMPT P43490 1/20 0.37
HRH4 Q9H3N8 3/20 0.36
HRH2 P25021 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 2/20 0.36
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9212054 1.00 GPR52 (0.41) GPR52GAAALDH1A1GRIN1GRIN2B
SCHEMBL9210611 0.78 MEN1 (0.43) GRIN1GRIN2BNAMPTHRH4HRH2
SCHEMBL9210605 0.78 MEN1 (0.43) GRIN1GRIN2BNAMPTHRH4HRH2
SCHEMBL9216842 0.77 NPC1 (0.46) GPR52GAAALDH1A1GRIN1GRIN2B
SCHEMBL9214592 0.77 NPC1 (0.46) GPR52GAAALDH1A1GRIN1GRIN2B
SCHEMBL9208888 0.76 GPR52 (0.42) GPR52GAAALDH1A1GRIN1GRIN2B
SCHEMBL9214373 0.76 GPR52 (0.42) GPR52GAAALDH1A1GRIN1GRIN2B
SCHEMBL6377119 0.75 EPHX2 (0.48) GPR52ALDH1A1GRIN1GRIN2BNAMPT
SCHEMBL9214494 0.75 EPHX2 (0.48) GPR52ALDH1A1GRIN1GRIN2BNAMPT
SCHEMBL9212059 0.75 GPR52 (0.42) GPR52GAAALDH1A1ALOX12HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed